SCHEMBL3386305

SCHEMBL3386305

COCCN1c2ccccc2SC1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.41
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ GLA P06280 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11326295 0.84 SMN1; SMN2 (0.40) BCHEPOLBALDH1A1MEN1KMT2A
SCHEMBL5047390 0.82 ALDH1A1 (0.40) POLBALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5044112 0.80 KDM4E (0.35) ALDH1A1HSD17B10KDM4EGAAGLA
SCHEMBL5050834 0.79 DRD2 (0.37) ALDH1A1HSD17B10KDM4EGAAGLA
SCHEMBL3418222 0.75 SMN1; SMN2 (0.37) ALDH1A1KMT2AKDM4EGAAGLA
Hydrochloric Acid SCHEMBL28771874 0.75 BCHE (0.42) BCHEALDH1A1MEN1KMT2AGAA
SCHEMBL9739896 0.71 BCHE (0.44) BCHEALDH1A1MEN1KMT2AGAA
SCHEMBL8797013 0.69 ALDH1A1 (0.36) BCHEPOLBALDH1A1MEN1KMT2A
SCHEMBL6933782 0.69 LMNA (0.45) BCHEPOLBHSD17B10KDM4ESMN1; SMN2
SCHEMBL6936002 0.68 BCHE (0.41) BCHEPOLBALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 — — US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 — — US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 — — EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 — — US disclosed
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 — — EP disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 — — US disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 BCHE 1625/4885POLB 4576/4885ALDH1A1 898/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 BCHE 1708/4885POLB 4566/4885ALDH1A1 914/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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